CS-1002825
Atorvastatin Impurity 88
Manufacturer: ChemScene
CAS Number: 2243639-97-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₃₅FN₂O₅
Molecular Weight
558.64
Synonyms
None
SMILES
C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa
111.79
Logp
6.3136
H Acceptors
5
H Donors
4
Rotatable Bonds
12
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₅FN₂O₅
Molecular Weight: 558.64
Synonyms: None
SMILES: C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa: 111.79
Logp: 6.3136
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅FN₂O₅
Molecular Weight:
558.64
Synonyms:
None
SMILES:
C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa:
111.79
Logp:
6.3136
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₁N₃O₂S
Molecular Weight: 343.44
Synonyms: None
SMILES: N=1C=C(C(OC)=C(C1CSC2=NC=3C=C(OC)C=CC3N2C)C)C
Tpsa: 49.17
Logp: 3.89464
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁N₃O₂S
Molecular Weight:
343.44
Synonyms:
None
SMILES:
N=1C=C(C(OC)=C(C1CSC2=NC=3C=C(OC)C=CC3N2C)C)C
Tpsa:
49.17
Logp:
3.89464
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₈F₂N₈O₄
Molecular Weight: 790.90
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@@H]([C@H](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa: 104.7
Logp: 6.7977
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₈F₂N₈O₄
Molecular Weight:
790.90
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@@H]([C@H](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa:
104.7
Logp:
6.7977
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
15
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight: 469.89
Synonyms: None
SMILES: C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa: 83.31
Logp: 3.5472
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight:
469.89
Synonyms:
None
SMILES:
C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa:
83.31
Logp:
3.5472
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7